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820236-96-2 | Benzaldehyde, 3-methyl-4-propoxy-
CAS No: 820236-96-2 Catalog No: AG008KD0 MDL No:MFCD06248397
Product Description
Catalog Number:
AG008KD0
Chemical Name:
Benzaldehyde, 3-methyl-4-propoxy-
CAS Number:
820236-96-2
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD06248397
IUPAC Name:
3-methyl-4-propoxybenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-3-6-13-11-5-4-10(8-12)7-9(11)2/h4-5,7-8H,3,6H2,1-2H3
InChI Key:
HTNVOKBPQBSBAK-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1C)C=O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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